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	hartrees
Energy at 0K	-438.548601
Energy at 298.15K	-438.552484
HF Energy	-438.419573
Nuclear repulsion energy	56.152832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3175	3175	9.78	68.74	0.75	0.86
2	A'	3085	3085	31.25	119.00	0.00	0.01
3	A'	2657	2657	15.51	151.86	0.39	0.56
4	A'	1522	1522	9.53	13.53	0.75	0.86
5	A'	1411	1411	8.77	1.87	0.72	0.84
6	A'	1127	1127	24.08	11.67	0.72	0.84
7	A'	814	814	1.39	7.10	0.49	0.65
8	A'	718	718	2.32	15.87	0.27	0.43
9	A"	3173	3173	12.26	73.43	0.75	0.86
10	A"	1512	1512	5.81	12.75	0.75	0.86
11	A"	1007	1007	12.88	4.30	0.75	0.86
12	A"	249	249	18.59	8.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.157	0.000
S2	-0.048	-0.668	0.000
H3	1.289	-0.828	0.000
H4	-1.092	1.463	0.000
H5	0.429	1.556	0.892
H6	0.429	1.556	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8250	2.3930	1.0882	1.0876	1.0876
S2	1.8250		1.3466	2.3733	2.4437	2.4437
H3	2.3930	1.3466		3.3044	2.6866	2.6866
H4	1.0882	2.3733	3.3044		1.7662	1.7662
H5	1.0876	2.4437	2.6866	1.7662		1.7838
H6	1.0876	2.4437	2.6866	1.7662	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.805	S2	C1	H4	106.344
S2	C1	H5	111.543	S2	C1	H6	111.543
H4	C1	H5	108.534	H4	C1	H6	108.534
H5	C1	H6	110.181

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3SH (Methanethiol)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)